methyl-[[3-[1-(2-methylpropanoyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium

Systemtic Name: methyl-[[3-[1-(2-methylpropanoyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium Openeye Name: methyl-[[3-[[1-(2-methylpropanoyl)-4-piperidyl]oxy]phenyl]methyl]-(5-quinolylmethyl)ammonium CAS Name: methyl-[[3-[[1-(2-methyl-1-oxopropyl)-4-piperidinyl]oxy]phenyl]methyl]-(5-quinolinylmethyl)ammonium IUPAC Name: methyl-[[3-[1-(2-methylpropanoyl)piperidin-4-yl]oxyphenyl]methyl]-(quinolin-5-ylmethyl)azanium Traditional Name: [3-[(1-isobutyryl-4-piperidyl)oxy]benzyl]-methyl-(5-quinolylmethyl)ammonium Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=C4C=CC=NC4=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+](C)CC3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C27H33N3O2/c1-20(2)27(31)30-15-12-23(13-16-30)32-24-9-4-7-21(17-24)18-29(3)19-22-8-5-11-26-25(22)10-6-14-28-26/h4-11,14,17,20,23H,12-13,15-16,18-19H2,1-3H3/p+1